[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c18-14-5-7-15(8-6-14)23-12-9-17(21)22-13-16(20)19-10-3-1-2-4-11-19/h5-8H,1-4,9-13H2